potassium 3-amino-3-carboxypropanoate

• ChemBase ID: 287470
• Molecular Formular: C4H6KNO4
• Molecular Mass: 171.19304
• Monoisotopic Mass: 170.99338936
• SMILES: O=C([O-])CC(N)C(=O)O.[K+]
• Canonical SMILES: [O-]C(=O)CC(C(=O)O)N.[K+]
• InChI: InChI=1S/C4H7NO4.K/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+1/p-1
• InChIKey: TXXVQZSTAVIHFD-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium 3-amino-3-carboxypropanoate
• IUPAC Traditional name: potassium 3-amino-3-carboxypropanoate
• Synonyms: Potassium 3-amino-3-carboxypropanoate

Database IDs

• CAS Number: 923-09-1
• MDL Number: MFCD00063082
• PubChem SID: 180673001
• PubChem CID: 23676146

CALCULATED PROPERTIES

• Acid pKa: 1.7025436
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -4.018386
• LogD (pH = 7.4): -5.749634
• Log P: -3.5037527
• Molar Refractivity: 37.3698 cm^3
• Polarizability: 10.777578 Å^3
• Polar Surface Area: 103.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%